4-methylidene-1,3,5-oxadiazinane

C4H8N2O — CID 59114500

IUPAC4-methylidene-1,3,5-oxadiazinane
SMILESC=C1NCOCN1
InChIInChI=1S/C4H8N2O/c1-4-5-2-7-3-6-4/h5-6H,1-3H2
InChIKeyVCNWQGHNCKFWDR-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.42
Rot. Bonds

About 4-methylidene-1,3,5-oxadiazinane

4-methylidene-1,3,5-oxadiazinane (PubChem CID 59114500) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 4-methylidene-1,3,5-oxadiazinane.

Molecular Properties

Compound Name4-methylidene-1,3,5-oxadiazinane
PubChem CID59114500
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name4-methylidene-1,3,5-oxadiazinane
SMILESC=C1NCOCN1
InChIInChI=1S/C4H8N2O/c1-4-5-2-7-3-6-4/h5-6H,1-3H2
InChIKeyVCNWQGHNCKFWDR-UHFFFAOYSA-N
XLogP-0.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1,3,5-oxadiazinane?
The IUPAC name of 4-methylidene-1,3,5-oxadiazinane (CID 59114500) is 4-methylidene-1,3,5-oxadiazinane.
What is the SMILES notation for 4-methylidene-1,3,5-oxadiazinane?
The canonical SMILES for 4-methylidene-1,3,5-oxadiazinane is C=C1NCOCN1.
What is the InChIKey of 4-methylidene-1,3,5-oxadiazinane?
The InChIKey is VCNWQGHNCKFWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-4-5-2-7-3-6-4/h5-6H,1-3H2.
What are the key properties of 4-methylidene-1,3,5-oxadiazinane?
4-methylidene-1,3,5-oxadiazinane has a molecular weight of 100.12 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,3,5-oxadiazinane is sourced from PubChem (CID 59114500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).